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benzyl 3-(cyanomethyl)piperazine-1-carboxylate

benzyl 3-(cyanomethyl)piperazine-1-carboxylate

Formula: C14H17N3O2

SMILES: O=C(OCC1=CC=CC=C1)N1CCNC(CC#N)C1

IUPAC: benzyl 3-(cyanomethyl)piperazine-1-carboxylate

InChI: InChI=1/C14H17N3O2/c15-7-6-13-10-17(9-8-16-13)14(18)19-11-12-4-2-1-3-5-12/h1-5,13,16H,6,8-11H2

Composition: C (64.85%), H (6.61%), N (16.20%), O (12.34%)

Molar Mass: 259.309

Atom Count: 36

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 259.132076799
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey GJCDUDWKKCXBNB-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.68
Topological Polar Surface Area 65.36
Polarizability 27.6
Ring Count 2
Rotatable Bond Count 4

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Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C14H17N3O2 Quote Only
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